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443 Results Found

  • Article
  • Open Access
5 Citations
2,993 Views
19 Pages

18 May 2019

The conventional resonance conditions are derived based on the conventionally designed impellers without splitter blades. This paper proposes the resonance conditions for impellers under the excitation from the impeller–diffuser interaction wit...

  • Article
  • Open Access
13 Citations
4,834 Views
21 Pages

High-throughput light scattering instruments are widely used in screening of biopharmaceutical formulations and can be easily incorporated into processes by utilizing multi-well plate formats. High-throughput plate readers are helpful tools to assess...

  • Article
  • Open Access
15 Citations
7,012 Views
19 Pages

Dissipative Particle Dynamics Investigation of the Transport of Salicylic Acid through a Simulated In Vitro Skin Permeation Model

  • Daniel P. Otto,
  • Johann Combrinck,
  • Anja Otto,
  • Louwrens R. Tiedt and
  • Melgardt M. De Villiers

5 December 2018

Permeation models are often used to determine diffusion properties of a drug through a membrane as it is released from a delivery system. In order to circumvent problematic in vivo studies, diffusion studies can be performed in vitro, using (semi-)sy...

  • Article
  • Open Access
2 Citations
1,936 Views
13 Pages

8 February 2023

The analysis of grain boundary (GB) diffusion in metallic systems based on Cu, Ni, Ag and Al was made to set demonstrate the common behavior. It was shown that the slow penetration for 11 systems can be connected with negative segregation or specific...

  • Article
  • Open Access
6 Citations
4,071 Views
13 Pages

Computational chemistry is a promising technique for the prediction of material properties. Adsorption and diffusion behaviors in zeolite micropores are important for zeolite membranes. In this study, we investigated novel non-bonding interaction par...

  • Article
  • Open Access
27 Citations
11,893 Views
21 Pages

19 August 2008

The response of an amperometric biosensor based on a chemically modified electrode was modelled numerically. A mathematical model of the biosensor is based on a system of non-linear reaction-diffusion equations. The modelling biosensor comprises two...

  • Article
  • Open Access
214 Views
17 Pages

29 January 2026

In this paper, we investigate the asymptotic behavior of solutions to a diffusive forest kinematic model, which describes the interactions among young trees, old trees, and airborne seeds. Our study focuses on the stability of the positive equilibriu...

  • Article
  • Open Access
3 Citations
960 Views
22 Pages

Diffusion Mechanism in Running-Water and CFD-DEM Numerical Simulation of Expandable Particulate Grouting Material

  • Zhipeng Zhang,
  • Chenyang Ma,
  • Chen Zhao,
  • Zhuo Zheng,
  • Wei Li,
  • Rentai Liu,
  • Xiuhao Li and
  • Hongyan Wang

7 April 2025

In order to study the diffusion and sealing mechanism of an innovative grouted material tentatively called “expandable particulate grout material”, the diffusion process was simulated by the numerical method of CFD-DEM coupling. A numeric...

  • Article
  • Open Access
21 Citations
4,002 Views
23 Pages

Effective and Apparent Diffusion Coefficients of Chloride Ions and Chloride Binding Kinetics Parameters in Mortars: Non-Stationary Diffusion–Reaction Model and the Inverse Problem

  • Jerzy J. Jasielec,
  • Jakub Stec,
  • Krzysztof Szyszkiewicz-Warzecha,
  • Artur Łagosz,
  • Jan Deja,
  • Andrzej Lewenstam and
  • Robert Filipek

3 December 2020

A non-equilibrium diffusion–reaction model is proposed to describe chloride transport and binding in cementitious materials. A numerical solution for this non-linear transport with reaction problem is obtained using the finite element method. The eff...

  • Article
  • Open Access
8 Citations
2,153 Views
16 Pages

4 August 2022

The purpose of this work is to investigate, within the context of extended thermo-diffusion theory, the transient thermo-diffusion responses for a half-space with variable thermal conductivity and diffusivity. The half-bounding space’s surface...

  • Article
  • Open Access
47 Citations
5,059 Views
21 Pages

5 December 2019

Natural ester, as a new environmentally green insulating oil, has been widely used in transformer. In an oil-immersed transformer, the normal aging, thermal failure, and discharge failure could easily lead to the decomposition of the oil-paper insula...

  • Article
  • Open Access
949 Views
24 Pages

Analysis of CH4 Solubility Characteristics in Drilling Fluids: Molecular Simulation and Solubility Experiment

  • Huaqing Liu,
  • Linyan Guo,
  • Dejun Cai,
  • Xiansi Wang,
  • Zhigang Li,
  • Yongsheng Zhang and
  • Chi Peng

5 September 2025

Based on molecular simulation methods, this paper constructs a molecular model of the CH4-drilling fluid system to conduct an in-depth analysis of the microscopic dissolution behavior of CH4 in drilling fluids. By utilizing key parameters such as mol...

  • Article
  • Open Access
16 Citations
3,640 Views
20 Pages

26 May 2021

The durability of the concrete in underground and marine engineering is affected by the underground and ocean environment. Chloride diffusion coefficient under hydrostatic pressure is a key parameter of concrete durability design under corresponding...

  • Article
  • Open Access
16 Citations
3,147 Views
13 Pages

20 April 2021

This paper describes the stability and Hopf bifurcation analysis of the Brusselator system with delayed feedback control in the single domain of a reaction–diffusion cell. The Galerkin analytical technique is used to present a system equation compose...

  • Article
  • Open Access
17 Citations
5,514 Views
12 Pages

Transdermal Drug Delivery: Determining Permeation Parameters Using Tape Stripping and Numerical Modeling

  • Fjola Jonsdottir,
  • Bergthora S. Snorradottir,
  • Skuli Gunnarsson,
  • Elina Georgsdottir and
  • Sven Sigurdsson

The function of transdermal drug delivery (TDD) systems is complex due to the multiple layers necessary for controlling the rate of drug release and the interaction with the patient’s skin. In this work, we study a particular aspect of a TDD sy...

  • Article
  • Open Access
13 Citations
2,762 Views
19 Pages

12 March 2019

We propose an approximate analytical approach to a ( 1 + 1 ) dimensional two-component system consisting of a nonlocal generalization of the well-known Fisher–Kolmogorov–Petrovskii– Piskunov (KPP) population equation and a d...

  • Article
  • Open Access
4 Citations
1,849 Views
19 Pages

2 July 2024

This study comprehensively examines the coupling effect of government policies, enterprise behavior, and existing technology on the diffusion of innovative technology. Utilizing multiplex network theory, a multiplex network model is constructed to co...

  • Article
  • Open Access
2 Citations
1,076 Views
22 Pages

Development and Perfection of Marine-Based Insecticide Biofilm for Pea Seed Protection: Experimental and Computational Approaches

  • Fatouma Mohamed Abdoul-Latif,
  • My Ismail El Mhamdi,
  • Ayoub Ainane,
  • Ali Merito Ali,
  • Khadija Oumaskour,
  • Sanaa Cherroud,
  • Stefano Cacciatore and
  • Tarik Ainane

This work aims to develop an insecticidal biofilm based on Calothrixin A, collagen, and chitosan for the protection of pea seeds. The main objective is to improve the ingredient concentrations maximizing the insecticidal activity of the biofilm and t...

  • Article
  • Open Access
15 Citations
5,434 Views
11 Pages

Morphological, Chemical Surface, and Diffusive Transport Characterizations of a Nanoporous Alumina Membrane

  • María I. Vázquez,
  • Virgina Romero,
  • Victor Vega,
  • Javier García,
  • Victor M. Prida,
  • Blanca Hernando and
  • Juana Benavente

5 December 2015

Synthesis of a nanoporous alumina membrane (NPAM) by the two-step anodization method and its morphological and chemical surface characterization by analyzing Scanning Electron Microscopy (SEM) micrographs and X-Ray Photoelectron Spectroscopy (XPS) sp...

  • Article
  • Open Access
320 Citations
17,323 Views
19 Pages

19 November 2018

Underground hydrogen storage is a potential way to balance seasonal fluctuations in energy production from renewable energies. The risks of hydrogen storage in depleted gas fields include the conversion of hydrogen to CH4(g) and H2S(g) due to microbi...

  • Article
  • Open Access
1 Citations
2,902 Views
16 Pages

Effects of Alloying Elements on the Solution and Diffusion of Oxygen at Iron Grain Boundary Investigated by First-Principles Study

  • Jingdan Zhang,
  • Xiaolin Li,
  • Yawei Lei,
  • Yange Zhang,
  • Xiangyan Li,
  • Yichun Xu,
  • Xuebang Wu,
  • Junfeng Yang,
  • Bingsheng Li and
  • Changsong Liu

17 April 2023

The effects of alloying elements (Si, Cr, Mo) on the solution and diffusion of oxygen (O) atoms at the grain boundary of iron (Fe) Σ5(310)/[001] are investigated by the simulations of ab initio density functional theory (DFT). It is found that...

  • Article
  • Open Access
13 Citations
3,568 Views
30 Pages

19 February 2024

Wind energy, renowned for cost-effectiveness and eco-friendliness, addresses global energy needs amid fossil fuel scarcity and environmental concerns. In low-wind speed regions, optimising wind turbine performance becomes vital and achievable by augm...

  • Review
  • Open Access
57 Citations
11,692 Views
29 Pages

Modeling of Entangled Polymer Diffusion in Melts and Nanocomposites: A Review

  • Argyrios Karatrantos,
  • Russell J. Composto,
  • Karen I. Winey,
  • Martin Kröger and
  • Nigel Clarke

14 May 2019

This review concerns modeling studies of the fundamental problem of entangled (reptational) homopolymer diffusion in melts and nanocomposite materials in comparison to experiments. In polymer melts, the developed united atom and multibead spring mode...

  • Article
  • Open Access
631 Views
9 Pages

9 April 2025

The influence of neutron transfer coupling on surface diffuseness has been thoroughly investigated in the study of carbon-induced fusion reactions. Through analysis of experimental measurements using advanced coupled-channel computational frameworks,...

  • Article
  • Open Access
8 Citations
3,588 Views
12 Pages

Simulation of Diffusion Bonding of Different Heat Resistant Nickel-Base Alloys

  • Albert R. Khalikov,
  • Evgeny A. Sharapov,
  • Vener A. Valitov,
  • Elvina V. Galieva,
  • Elena A. Korznikova and
  • Sergey V. Dmitriev

Currently, an important fundamental problem of practical importance is the production of high-quality solid-phase compounds of various metals. This paper presents a theoretical model that allows one to study the diffusion process in nickel-base refra...

  • Article
  • Open Access
13 Citations
3,422 Views
17 Pages

29 September 2022

This paper aims to study the interaction mechanism of waste tire/plastic modified asphalt from the microscopic perspective of molecules. Based on BIOVIA Materials Studio, a classic four-component asphalt model consisting of asphaltene (C149H177N3O2S2...

  • Article
  • Open Access
3 Citations
2,531 Views
15 Pages

Mathematical Modeling of the Tumor–Immune System with Time Delay and Diffusion

  • Amina Cherraf,
  • Mingchu Li,
  • Anes Moulai-Khatir and
  • Meryem Hamidaoui

10 February 2023

This paper proposes a partial differential equation model based on the model introduced by V. A. Kuznetsov and M. A. Taylor, which explains the dynamics of a tumor–immune interaction system, where the immune reactions are described by a Michael...

  • Article
  • Open Access
7 Citations
3,178 Views
17 Pages

12 July 2021

The solubility and interdiffusion of polystyrene (PS) with polymethyl acrylate (PMA), polyethyl acrylate (PEA), polybutyl acrylate (PBA), and polyethylhexyl acrylate (PEHA) have been studied by the optical interferometry method. Phase state diagrams...

  • Review
  • Open Access
1 Citations
2,469 Views
37 Pages

19 March 2024

Diffusiophoresis is the isothermal migration of a colloidal particle through a liquid caused by a cosolute concentration gradient. Although diffusiophoresis was originally introduced using hydrodynamics, it can also be described by employing the fram...

  • Article
  • Open Access
5 Citations
2,309 Views
11 Pages

15 February 2023

Motivated by the fast development of various additive manufacturing technologies, we consider a mathematical model of re-solidification of multicomponent metal alloys, which takes place after ultrashort (femtosecond) pulse laser melting of a metal su...

  • Article
  • Open Access
32 Citations
7,609 Views
14 Pages

7 February 2023

The formation of intermetallic compounds (IMC) at the Al/Fe interface determined the mechanical property of steel-aluminum welded joint. To understand the interfacial microstructure evolution and relate diffusion mechanism of atoms cross the Al/Fe in...

  • Review
  • Open Access
15 Citations
6,749 Views
31 Pages

Evaluation of Tungsten—Steel Solid-State Bonding: Options and the Role of CALPHAD to Screen Diffusion Bonding Interlayers

  • Ishtiaque Karim Robin,
  • Tim Gräning,
  • Ying Yang,
  • Syeda Bushra Haider,
  • Eric Andrew Lass,
  • Yutai Katoh and
  • Steven John Zinkle

10 August 2023

Critical aspects of innovative design in engineering disciplines like infrastructure, transportation, and medical applications require the joining of dissimilar materials. This study investigates the literature on solid-state bonding techniques, with...

  • Article
  • Open Access
2,543 Views
13 Pages

The Modeling of Self-Consistent Electron–Deformation–Diffusion Effects in Thin Films with Lattice Parameter Mismatch

  • Oleh Kuzyk,
  • Olesya Dan’kiv,
  • Ihor Stolyarchuk,
  • Roman Peleshchak and
  • Yuriy Pavlovskyy

25 February 2023

In our work, the model of self-consistent electron–deformation–diffusion effects in thin films grown on substrate with the mismatch of lattice parameters of the contacting materials is constructed. The proposed theory self-consistently ta...

  • Article
  • Open Access
1 Citations
1,251 Views
45 Pages

31 December 2024

Host–parasitoid systems are an essential area of research in ecology and evolutionary biology due to their widespread occurrence in nature and significant impact on species evolution, population dynamics, and ecosystem stability. In such system...

  • Article
  • Open Access
21 Citations
6,639 Views
17 Pages

25 December 2017

It is necessary to control the temperature of solar cells for enhancing efficiency with increasing concentrations of multiple photovoltaic systems. A heterogeneous two-phase model was established after considering the interacting between temperature,...

  • Article
  • Open Access
7 Citations
7,611 Views
13 Pages

Characterization at 25 °C of Sodium Hyaluronate in Aqueous Solutions Obtained by Transport Techniques

  • Aleš Mráček,
  • Lenka Gřundělová,
  • Antonín Minařík,
  • Luís M. P. Veríssimo,
  • Marisa C. F. Barros and
  • Ana C. F. Ribeiro

2 April 2015

Mutual diffusion coefficients, D, were determined for aqueous solutions of sodium hyaluronate (NaHy) at 25 °C and concentrations ranging from 0.00 to 1.00 g·dm−3 using the Taylor dispersion technique. From these experimental data, it was possible to...

  • Article
  • Open Access
12 Citations
2,856 Views
19 Pages

28 April 2022

Pipeline spraying can be adopted for greatly improving spraying efficiency in hillside orchard spraying operations. However, residual phytosanitary product still remains in the pipeline after the completion of pipeline spraying operations. Currently,...

  • Article
  • Open Access
4 Citations
3,540 Views
12 Pages

Molecular Simulation to Explore the Dissolution Behavior of Sulfur in Carbon Disulfide

  • Xiangyu Cui,
  • Wenbo Wang,
  • Mengcheng Du,
  • Delong Ma and
  • Xiaolai Zhang

Soluble sulfur (S8) and insoluble sulfur (IS) have different application fields, and molecular dynamics simulation can reveal their differences in solubility in solvents. It is found that in the simulated carbon disulfide (CS2) solvent, soluble sulfu...

  • Article
  • Open Access
1 Citations
2,588 Views
17 Pages

A Mathematical Model for Enhancing CO2 Capture in Construction Sector Using Hydrated Lime

  • Natalia Vidal de la Peña,
  • Séverine Marquis,
  • Stéphane Jacques,
  • Elise Aubry,
  • Grégoire Léonard and
  • Dominique Toye

30 August 2024

The construction sector is among the most polluting industries globally, accounting for approximately 37.5% of the European Union’s total waste generation in 2020. Therefore, it is imperative to develop strategies to enhance the sustainability...

  • Article
  • Open Access
20 Citations
4,995 Views
17 Pages

Modelling Sorption Thermodynamics and Mass Transport of n-Hexane in a Propylene-Ethylene Elastomer

  • Daniele Tammaro,
  • Lorenzo Lombardi,
  • Giuseppe Scherillo,
  • Ernesto Di Maio,
  • Navanshu Ahuja and
  • Giuseppe Mensitieri

4 April 2021

Optimization of post polymerization processes of polyolefin elastomers (POE) involving solvents is of considerable industrial interest. To this aim, experimental determination and theoretical interpretation of the thermodynamics and mass transport pr...

  • Article
  • Open Access
3 Citations
1,639 Views
21 Pages

Quantitative Physiologic MRI Combined with Feature Engineering for Developing Machine Learning-Based Prediction Models to Distinguish Glioblastomas from Single Brain Metastases

  • Seyyed Ali Hosseini,
  • Stijn Servaes,
  • Brandon Hall,
  • Sourav Bhaduri,
  • Archith Rajan,
  • Pedro Rosa-Neto,
  • Steven Brem,
  • Laurie A. Loevner,
  • Suyash Mohan and
  • Sanjeev Chawla

Background: The accurate and early distinction of glioblastomas (GBMs) from single brain metastases (BMs) provides a window of opportunity for reframing treatment strategies enabling optimal and timely therapeutic interventions. We sought to leverage...

  • Article
  • Open Access
5 Citations
1,527 Views
25 Pages

12 May 2025

Compatibilizers play a critical role in resolving compatibility issues between styrene–butadiene–styrene (SBS) modifiers and asphalt systems. These additives enhance the uniform dispersion of SBS modifiers and stabilize their cross-linked...

  • Article
  • Open Access
18 Citations
6,342 Views
26 Pages

A PDE Model of Breast Tumor Progression in MMTV-PyMT Mice

  • Navid Mohammad Mirzaei,
  • Zuzana Tatarova,
  • Wenrui Hao,
  • Navid Changizi,
  • Alireza Asadpoure,
  • Ioannis K. Zervantonakis,
  • Yu Hu,
  • Young Hwan Chang and
  • Leili Shahriyari

The evolution of breast tumors greatly depends on the interaction network among different cell types, including immune cells and cancer cells in the tumor. This study takes advantage of newly collected rich spatio-temporal mouse data to develop a dat...

  • Article
  • Open Access
3 Citations
1,771 Views
16 Pages

20 November 2023

In order to study the interaction between composite photocatalytic material TiO2@LDO and matrix asphalt, the four-component 12 molecular structure model of 70# matrix asphalt was optimized by using software Materials Studio 2020, and its heterostruct...

  • Article
  • Open Access
66 Citations
7,011 Views
24 Pages

26 March 2018

Graphene oxide/poly(amidoamine) (GO/PAMAM) nanocomposite adsorbed high quantities of congo red (CR) anionic dye in 0.1 M NaCl solution, with the maximum adsorption capacity of 198 mg·g−1. The kinetics and thermodynamics of adsorption were investigate...

  • Article
  • Open Access
6 Citations
2,802 Views
10 Pages

Interactions between Sodium Hyaluronate and β-Cyclodextrin as Seen by Transport Properties

  • Lenka Musilová,
  • Aleš Mráček,
  • Eduarda F. G. Azevedo,
  • Artur J. M. Valente,
  • Ana M. T. D. P. V. Cabral,
  • Ana C. F. Ribeiro and
  • Miguel A. Esteso

2 February 2023

Knowledge of mass transport parameters, diffusion, and viscosity of hyaluronic acid (HA) in the presence of cyclodextrins is of considerable importance for areas such as food packaging and drug delivery, among others. Despite a number of studies inve...

  • Article
  • Open Access
25 Citations
4,166 Views
13 Pages

Theoretical Model of Suspended Sediment Concentration in a Flow with Submerged Vegetation

  • Da Li,
  • Zhonghua Yang,
  • Zhaohua Sun,
  • Wenxin Huai and
  • Jianhua Liu

14 November 2018

Vegetation in natural river interacts with river flow and sediment transport. This paper proposes a two-layer theoretical model based on diffusion theory for predicting the vertical distribution of suspended sediment concentration in a flow with subm...

  • Article
  • Open Access
2 Citations
1,213 Views
22 Pages

28 May 2025

The diffusion of green energy technological innovation based on international green energy cooperation is a critical pathway to achieving global low-carbon emission reductions. However, few studies have considered the innovation diffusion pathways of...

  • Article
  • Open Access
4 Citations
2,079 Views
14 Pages

Qualitative and Visual Along-Tract Analysis of Diffusion-Based Parameters in Patients with Diffuse Gliomas

  • Markus Fahlström,
  • Sadia Mirza,
  • Åsa Alberius Munkhammar,
  • Maria Zetterling and
  • Francesco Latini

26 February 2024

Background: Grade 2–3 diffuse gliomas (DGs) show extensive infiltration through white matter (WM) tracts. Along-tract analysis of WM tracts based on diffusion tensor tractography (DTI) can been performed to assess the microstructural integrity...

  • Article
  • Open Access
5 Citations
1,869 Views
26 Pages

Insights into the Adsorption of Carbon Dioxide in Zeolites ITQ-29 and 5A Based on Kinetic Measurements and Molecular Simulations

  • Magdy Abdelghany Elsayed,
  • Shixue Zhou,
  • Xiaohui Zhao,
  • Gumawa Windu Manggada,
  • Zhongyuan Chen,
  • Fang Wang and
  • Zhijuan Tang

11 July 2025

Understanding the adsorption mechanism is essential for developing efficient technologies to capture carbon dioxide from industrial flue gases. In this work, laboratory measurements, density functional theory calculations, and molecular dynamics simu...

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